(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C14H12FN3O4S — CID 92715285

IUPAC(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(n(C)c1=O)=N[C@@H](S(=O)(=O)c1ccc(F)cc1)C=2
InChIInChI=1S/C14H12FN3O4S/c1-17-12-10(13(19)18(2)14(17)20)7-11(16-12)23(21,22)9-5-3-8(15)4-6-9/h3-7,11H,1-2H3/t11-/m0/s1
InChIKeyJPMMKCNZXNKDSZ-NSHDSACASA-N
MW337.33 g/mol
LogP-1.56
Rot. Bonds2

About (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione

(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 92715285) has the molecular formula C14H12FN3O4S and a molecular weight of 337.33 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID92715285
Molecular FormulaC14H12FN3O4S
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC Name(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(n(C)c1=O)=N[C@@H](S(=O)(=O)c1ccc(F)cc1)C=2
InChIInChI=1S/C14H12FN3O4S/c1-17-12-10(13(19)18(2)14(17)20)7-11(16-12)23(21,22)9-5-3-8(15)4-6-9/h3-7,11H,1-2H3/t11-/m0/s1
InChIKeyJPMMKCNZXNKDSZ-NSHDSACASA-N
XLogP-1.56
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 92715285) is (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(n(C)c1=O)=N[C@@H](S(=O)(=O)c1ccc(F)cc1)C=2.
What is the InChIKey of (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JPMMKCNZXNKDSZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H12FN3O4S/c1-17-12-10(13(19)18(2)14(17)20)7-11(16-12)23(21,22)9-5-3-8(15)4-6-9/h3-7,11H,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
(6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 337.33 g/mol, XLogP of -1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92715285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).